SCHEMBL9195808

SCHEMBL9195808

NCCCCC(N)C(=O)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
MMP2 P08253 1/20 0.56
ANPEP P15144 1/20 0.54
DPP8 Q6V1X1 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
ECE1 P42892 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9195814 1.00 LTA4H (0.60) LTA4HMMP2ANPEPDPP8DPP7
SCHEMBL9202736 0.96 LTA4H (0.55) LTA4HMMP2ANPEPDPP8DPP7
SCHEMBL9202741 0.96 LTA4H (0.55) LTA4HMMP2ANPEPDPP8DPP7
Hydrochloric Acid SCHEMBL10653391 0.87 LTA4H (0.53) LTA4HMMP2ANPEPDPP8DPP7
SCHEMBL7303955 0.84 LTA4H (0.58) LTA4HANPEPECE1CPB1SLC1A3
SCHEMBL16495147 0.83 ECE1 (0.56) LTA4HMMP2ECE1CPB1CPB2
SCHEMBL676143 0.83 LTA4H (0.57) LTA4HMMP2ANPEPDPP8DPP7
SCHEMBL730307 0.83 LTA4H (0.57) LTA4HMMP2ANPEPDPP8DPP7
SCHEMBL2289331 0.82 LTA4H (0.58) LTA4HMMP2ANPEPECE1CPB1
SCHEMBL18567745 0.82 MMP2 (0.60) LTA4HMMP2ANPEPDPP8DPP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed